ethyl 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate
TL;DR: ethyl 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate (CAS 159187-02-7) is a chemical compound with molecular formula C21H30N2O3 and molecular weight 358.22565 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
ethyl 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate
Also Known As: ethyl 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate, 1-butyl-3-ethoxycarbonyl-2-methyl-4-(pyrrolidin-1-ium-1-ylmethyl)indol-5-olate, ETHYL 1-BUTYL-5-HYDROXY-2-METHYL-4-(1-PYRROLIDINYLMETHYL)-1H-INDOLE-3-CARBOXYLATE, ethyl 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ylmethyl)indole-3-carboxylate
Technical Specifications
| Molecular Formula | C21H30N2O3 |
| Molecular Weight | 358.22565 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 54.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 358.22565 Da |
| Heavy Atoms | 26 |
| Complexity | 466.0 |
| SMILES | CCCCN1C(=C(C2=C1C=CC(=C2CN3CCCC3)O)C(=O)OCC)C |
| InChIKey | JYLBWKWLECJJOJ-UHFFFAOYSA-N |
Chemical Property Profile of ethyl 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate
Property Insights of ethyl 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate
The XLogP value of 3.8 indicates that ethyl 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.7 Ų, ethyl 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ethyl 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of ethyl 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate?
The CAS number of ethyl 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate is 159187-02-7.
What is the molecular formula of ethyl 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate?
The molecular formula of ethyl 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate is C21H30N2O3.
What is the molecular weight of ethyl 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate?
The molecular weight of ethyl 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate is 358.22565 g/mol.
Where can I buy ethyl 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate?
You can request a quote for ethyl 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for ethyl 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate?
Yes, CoreyChem provides custom synthesis services for ethyl 1-butyl-5-hydroxy-2-methyl-4-(pyrrolidin-1-ylmethyl)-1H-indole-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.